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      • SCOPUSKCI등재

        Theoretical Study on Interactions between N-Butylpyridinium Nitrate and Thiophenic Compounds

        Lu, Renqing,Liu, Dong,Wang, Shutao,Lu, Yukun Korean Chemical Society 2013 Bulletin of the Korean Chemical Society Vol.34 No.6

        By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ($[BPY]^+[NO_3]^-$) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of $[BPY]^+[NO_3]^-$ ion pair indicates that hydrogen bonding interactions between oxygen atoms on $[NO_3]^-$ anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, ${\pi}{\cdots}$H-C, and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

      • KCI등재

        Crystallization kinetics and magnetic properties of spinel transition metal ferrite nanoparticles

        Yukun Sun,Dongyun Li,Pengzhao Gao,Zhouli Lu,Hongliang Ge 한양대학교 세라믹연구소 2016 Journal of Ceramic Processing Research Vol.17 No.5

        Spinel transition metal ferrite TMFe2O4 (TM = Co2+, Ni2+, Cu2+, and Zn2+) nanoparticles were prepared via a template-assistedsol-gel method followed by a calcining process, using metal nitrate precursors as raw materials. The prepared specimens werecharacterized using X-ray diffraction (XRD) and a vibrating sample magnetometer (VSM). Their structures, magneticproperties, crystallization kinetics, and the influence of crystal size (D) on the magnetic properties were investigated. It wasfound that the crystal sizes of TMFe2O4 were positively proportional to the calcined temperature and time, and thecrystallization growth activation energy (Ea) increased with the increase of metal ionic radius. The optimum calcinationparameters were obtained to form a crystal closest to the standard crystal. Additionally, the saturation magnetization ofinverse spinel structure specimens was enhanced monotonously and their coercivity showed a potential decrease trend, whilethere was an opposite change trend for normal spinel structure specimens.

      • SCIESCOPUSKCI등재

        Gender-Specific Differences in Gut Microbiota Composition Associated with Microbial Metabolites for Patients with Acne Vulgaris

        ( Yukun Huang ),( Lu Liu ),( Linna Chen ),( Lin Zhou ),( Xia Xiong ),( Yongqiong Deng ) 대한피부과학회 2021 Annals of Dermatology Vol.33 No.6

        Background: The gut microbial dysbiosis and gender differences in the pathogenesis of acne vulgaris have long been postulated respectively. However, there was no data about a genderrelated discrepancy in gut microbiota and microbial metabolism in acne. Objective: This study aimed at identifying the underlying gender-related difference in gut microbiota and metabolism in acne vulgaris. Methods: Fecal samples were collected from 43 acne patients and 43 age and gender-matched controls. Gut microbiota was analyzed by sequencing the V3-V4 region of 16SrDNA gene and microbial metabolites were quantitatively detected using gas chromatography time-of-flight mass spectrometry. Results: Compared with healthy controls, the men had a lower abundance of 18 microbes such as Butyricicoccus , Clostridium sensu stricto, Faecalibaculum, Bacillus , Lactococcus , Blautia, Clostridiales, Lachnospiracea incertae sedis, Ruminococcus at genus level. However, the female patients only showed increased Clostridium sensu stricto and declined Oscillibacter and Odoribacterin. Additionally, the disordered metabolism of fatty acids was identified in male patients, while the dysbiosis of amino acids metabolism in female ones. Conclusion: The disorder of gut microbiota and metabolism in acne vulgaris was genderspecific, which supported the potential role of gender difference in the pathogenesis of this disease.

      • KCI등재

        Theoretical Study on Interactions between N-Butylpyridinium Nitrate and Thiophenic Compounds

        Renqing Lü,Dong Liu,Shutao Wang,Yukun Lu 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.6

        By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ([BPY]+[NO3]−) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of [BPY]+[NO3]− ion pair indicates that hydrogen bonding interactions between oxygen atoms on [NO3]− anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, π···H-C, and π···π interactions between [BPY]+[NO3]− and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and π···π interactions between [BPY]+[NO3]− and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

      • Vitamin D Receptor BsmI Polymorphism and Colorectal Cancer Risk: an Updated Analysis

        Yu, Kun,Yang, Jing,Jiang, Yan,Song, Run,Lu, Qing Asian Pacific Journal of Cancer Prevention 2014 Asian Pacific journal of cancer prevention Vol.15 No.12

        Background: Previous studies have investigated the association between the vitamin D receptor (VDR) BsmI polymorphism and colorectal cancer (CRC) susceptibility, but the results were conflicting. The aim of this study is to quantitatively summarize the relationship between this polymorphism and CRC risk. Materials and Methods: Two investigators independently searched the Medline, Embase, China National Knowledge Infrastructure (CNKI) and Chinese Biomedicine databases for studies published before November 2013. Summary odds ratios (ORs) and 95% confidence intervals (95%CIs) for VDR BsmI polymorphism and CRC were calculated in a fixed-effects model (the Mantel-Haenszel method) and a random-effects model (the DerSimonian and Laird method) when appropriate. Results: This meta-analysis included 14 case-control studies, which included 10,822 CRC cases and 11,779 controls. Overall, the variant genotype (BB) of the BsmI was associated with a lower CRC risk when compared with the wild-type bb homozygote (OR=0.66, 95%CI: 0.49-0.88). Similarly, a decreased CRC risk was also found in the dominant and recessive models. When stratifying for ethnicity, source of controls, and study sample size, associations were observed among Caucasians, population-based studies and studies with large study sample size (>1000 subjects). Limiting the analysis to the studies within Hardy-Weinberg equilibrium, the results were persistent and robust. No publication bias was found in the present study. Conclusions: This updated meta-analysis suggests that the VDR BsmI polymorphism may be associated with a moderate protective effect against CRC.

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